Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -4.9717    0.0159    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2717   -0.4730   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -0.5300   -0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233   -1.0049   -1.6671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -0.0748    0.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7285   -0.1559    0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166   -1.2258    0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638   -1.2464    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370   -0.1355    0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204    0.9287   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384    0.9293   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895   -0.1160    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -1.1129    0.7649 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    1.0585   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0696    0.0662    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4791    0.3842    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.8475   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5801   -2.0686    1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969   -2.1009    1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8394    1.8069   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    1.8061   -0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0473    1.9681    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8883    1.2389   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932    0.8893   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers